3-(Ethylthio)benzoic acid
3-ethylsulfanylbenzoic acid
Also Known As: 3-(Ethylthio)benzoic acid|3-(ethylsulfanyl)benzoic acid|3-ethylsulfanylbenzoic acid|3-(Ethylthio)benzoicacid|3-Ethylmercapto-benzoesaeure|Benzoic acid, 3-(ethylthio)-|Benzoicacid,3-(ethylthio)-|BENZOIC ACID, M-(ETHYLTHIO)-|BENZOIC ACID, M-(ETHYLMERCAPTO)-
CAS: 5579-40-8
| Molecular Formula | C9H10O2S |
|---|---|
| Molecular Weight | 182.04015 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.04015 |
| Monoisotopic Mass | 182.04015 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 5579-40-8 |
|---|---|
| SMILES | CCSC1=CC=CC(=C1)C(=O)O |
| InChIKey | MZRQSAWOIUBTQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (14 patents)
Organic Building Blocks (10 patents)
Pharmaceutical Intermediates (26 patents)
Product Overview
3-(Ethylthio)benzoic acid (CAS 5579-40-8), with molecular formula C9H10O2S and molecular weight 182.04015 g/mol. IUPAC: 3-ethylsulfanylbenzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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